K788-8367 Screening compound: 1-{[10-(3-chlorobenzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepin-8-yl]carbonyl}-4-piperidinecarboxamide

Chemical Structure Depiction of ChemDiv screening compound K788-8367
1-{[10-(3-chlorobenzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepin-8-yl]carbonyl}-4-piperidinecarboxamide

Available from 1 mg

Formats:

Glass Vials (4ml Glass Vials VWR #97047-678)
96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K788-8367

Molecular Formula

C₂₇H₂₄ClN₃O₄S (C27 H24 ClN3 O4 S)

Compound Name

1-{[10-(3-chlorobenzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepin-8-yl]carbonyl}-4-piperidinecarboxamide

IUPAC name

1-{9-[(3-chlorophenyl)methyl]-210-dioxo-2lambda4-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-6-carbonyl}piperidine-4-carboxamide

SMILES

NC(C(CC1)CCN1C(c(cc1)cc(N(Cc2cccc(Cl)c2)C(c2c3cccc2)=O)c1S3=O)=O)=O

InChI

InChI=1S/C27H26ClN3O4S/c28-20-5-3-4-17(14-20)16-31-22-15-19(26(33)30-12-10-18(11-13-30)25(29)32)8-9-24(22)36(35)23-7-2-1-6-21(23)27(31)34/h1-9,14-15,18H,10-13,16,36H2,(H2,29,32)

InChI Key

RSQYXVSLKWLVHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.02

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

2.471

Distribution Coefficient, logD

2.471

Water Solubility, LogSw

-3.46

Polar Surface Area

81.492

Acid Dissociation Constant (pK_a)

14.92

Base Dissociation Constant (pK_b)

4.83

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

22.20

K788-8367 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:

3D
Mimetics

Therapeutical areas:

Hemic and lymphatic
Cardiovascular
Cancer
Nervous system
Male
Female
Hemic and lymphatic
Skin
Endocrine

Mechanism of action:

PPI modulators
PPI modulators

Targets:

Phosphatases

References: we are preparing a list of scientific research reports with K788-8367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8367?
Check Price and Availability of K788-8367, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.

What is the minimum amount of K788-8367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K788-8367
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for K788-8367

0.5–50 mg of dry powder sample in single glass vials, custom vials
DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K788-8367 available by request